Cas no 34490-96-5 ((1E)-1-(hydroxyimino)butan-2-one)
34490-96-5 structure
Product Name:(1E)-1-(hydroxyimino)butan-2-one
CAS No:34490-96-5
MF:C4H7NO2
MW:101.103881120682
CID:1462861
PubChem ID:6399233
Update Time:2025-04-20
(1E)-1-(hydroxyimino)butan-2-one Chemical and Physical Properties
Names and Identifiers
-
- (1E)-1-(hydroxyimino)butan-2-one
- 2-Butanone, 1-hydroxyimino-
- Butanal, 2-oxo-, 1-oxime, (1E)-
- DTXSID501315162
- oximinobutanone
- 2-Oxobutanal 1-oxime
- NDQMJZCPBOBKQB-UHFFFAOYSA-N
- 90656-59-0
- 34490-96-5
- 2-oxo-butyraldehyde oxime
-
- Inchi： 1S/C4H7NO2/c1-2-4(6)3-5-7/h3,7H,2H2,1H3
- InChI Key： NDQMJZCPBOBKQB-UHFFFAOYSA-N
- SMILES： O=C(C=NO)CC
Computed Properties
- Exact Mass: 101.04771
- Monoisotopic Mass: 101.047678
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 87.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 49.7
- XLogP3: 0.9
Experimental Properties
- Density: 1.066
- Boiling Point: 204.069°C at 760 mmHg
- Flash Point: 77.218°C
- Refractive Index: 1.451
- PSA: 49.66
(1E)-1-(hydroxyimino)butan-2-one Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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